1-(5-chloranyl-3-methyl-1-phenyl-pyrazolidin-4-yl)-4,6-bis(oxidanylidene)-5-[2-[(phenylmethyl)amino]ethyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(5-chloranyl-3-methyl-1-phenyl-pyrazolidin-4-yl)-4,6-bis(oxidanylidene)-5-[2-[(phenylmethyl)amino]ethyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-[2-(benzylamino)ethyl]-1-(5-chloro-3-methyl-1-phenyl-pyrazolidin-4-yl)-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-chloro-3-methyl-1-phenyl-4-pyrazolidinyl)-4,6-dioxo-5-[2-[(phenylmethyl)amino]ethyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-[2-(benzylamino)ethyl]-1-(5-chloro-3-methyl-1-phenylpyrazolidin-4-yl)-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-[2-(benzylamino)ethyl]-1-(5-chloro-3-methyl-1-phenyl-pyrazolidin-4-yl)-4,6-diketo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H30ClN5O4 MolecularWeight: 512.0005

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(N(N1)C2=CC=CC=C2)Cl)C3C4C(C(N3)C(=O)O)C(=O)N(C4=O)CCNCC5=CC=CC=C5

Isomeric SMILES

CC1C(C(N(N1)C2=CC=CC=C2)Cl)C3C4C(C(N3)C(=O)O)C(=O)N(C4=O)CCNCC5=CC=CC=C5

InChI

InChI=1S/C26H30ClN5O4/c1-15-18(23(27)32(30-15)17-10-6-3-7-11-17)21-19-20(22(29-21)26(35)36)25(34)31(24(19)33)13-12-28-14-16-8-4-2-5-9-16/h2-11,15,18-23,28-30H,12-14H2,1H3,(H,35,36)