(2S)-N-[(4-azanylcyclohexyl)methyl]-1-[(3-oxidanylidene-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-1-yl)carbonyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-[(3-oxidanylidene-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-1-yl)carbonyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[oxo-(3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-1-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(3-keto-2,5,6,10b-tetrahydro-1H-pyrrol[2,1-a]isoquinoline-1-carbonyl)pyrrolidine-2-carboxamide Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(=O)N3C2C4=CC=CC=C4CC3)C(=O)NCC5CCC(CC5)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2CC(=O)N3C2C4=CC=CC=C4CC3)C(=O)NCC5CCC(CC5)N

InChI

InChI=1S/C25H34N4O3/c26-18-9-7-16(8-10-18)15-27-24(31)21-6-3-12-28(21)25(32)20-14-22(30)29-13-11-17-4-1-2-5-19(17)23(20)29/h1-2,4-5,16,18,20-21,23H,3,6-15,26H2,(H,27,31)/t16?,18?,20?,21-,23?/m0/s1