5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-8-methyl-7-(phenylazanylmethyl)-3-propan-2-yl-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-8-methyl-7-(phenylazanylmethyl)-3-propan-2-yl-1,3,4-benzotriazepin-2-one Openeye Name: 7-(anilinomethyl)-5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-3-isopropyl-8-methyl-1,3,4-benzotriazepin-2-one CAS Name: 7-(anilinomethyl)-5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one IUPAC Name: 7-(anilinomethyl)-5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one Traditional Name: 7-(anilinomethyl)-5-cyclohexyl-1-[4-(2-imidazolin-2-ylmethyl)phenyl]-3-isopropyl-8-methyl-1,3,4-benzotriazepin-2-one Formula: C35H42N6O MolecularWeight: 562.74758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N(C(=O)N(N=C2C3CCCCC3)C(C)C)C4=CC=C(C=C4)CC5=NCCN5)CNC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=C2C(=C1)N(C(=O)N(N=C2C3CCCCC3)C(C)C)C4=CC=C(C=C4)CC5=NCCN5)CNC6=CC=CC=C6

InChI

InChI=1S/C35H42N6O/c1-24(2)41-35(42)40(30-16-14-26(15-17-30)21-33-36-18-19-37-33)32-20-25(3)28(23-38-29-12-8-5-9-13-29)22-31(32)34(39-41)27-10-6-4-7-11-27/h5,8-9,12-17,20,22,24,27,38H,4,6-7,10-11,18-19,21,23H2,1-3H3,(H,36,37)