1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]methanimine

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]methanimine Openeye Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]methanimine CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]methanimine IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]methanimine Traditional Name: [2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methylene-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]amine Formula: C27H29N5 MolecularWeight: 423.55266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=C(C=C3)C4=NN=C5N4CCCCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=C(C=C3)C4=NN=C5N4CCCCC5)C

InChI

InChI=1S/C27H29N5/c1-19-8-14-25(15-9-19)32-20(2)17-23(21(32)3)18-28-24-12-10-22(11-13-24)27-30-29-26-7-5-4-6-16-31(26)27/h8-15,17-18H,4-7,16H2,1-3H3