4-[(Z)-[3-cyclopropyl-5-methyl-4-[3-[(phenylmethyl)amino]propyl]pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(Z)-[3-cyclopropyl-5-methyl-4-[3-[(phenylmethyl)amino]propyl]pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[4-[3-(benzylamino)propyl]-3-cyclopropyl-5-methyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[3-cyclopropyl-5-methyl-4-[3-[(phenylmethyl)amino]propyl]-2-pyrrolylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[4-[3-(benzylamino)propyl]-3-cyclopropyl-5-methylpyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[4-[3-(benzylamino)propyl]-3-cyclopropyl-5-methyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-3-pyrazolin-3-one Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=CC=CS3)C(=C1CCCNCC4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=N/C(=C\C2=C(NNC2=O)C3=CC=CS3)/C(=C1CCCNCC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C26H28N4OS/c1-17-20(9-5-13-27-16-18-7-3-2-4-8-18)24(19-11-12-19)22(28-17)15-21-25(29-30-26(21)31)23-10-6-14-32-23/h2-4,6-8,10,14-15,19,27H,5,9,11-13,16H2,1H3,(H2,29,30,31)/b22-15-