3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]-1-[4-[(phenethylamino)methyl]piperidin-1-yl]propan-1-one

Systemtic Name: 3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]-1-[4-[(phenethylamino)methyl]piperidin-1-yl]propan-1-one Openeye Name: 3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]-1-[4-[(phenethylamino)methyl]-1-piperidyl]propan-1-one CAS Name: 3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-oxomethyl]phenyl]-1-[4-[(phenethylamino)methyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]-1-[4-[(phenethylamino)methyl]piperidin-1-yl]propan-1-one Traditional Name: 3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]-1-[4-[(phenethylamino)methyl]piperidino]propan-1-one Formula: C36H42N6O2 MolecularWeight: 590.75768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CCC(=O)N5CCC(CC5)CNCCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CCC(=O)N5CCC(CC5)CNCCC6=CC=CC=C6

InChI

InChI=1S/C36H42N6O2/c1-26-22-30(36(44)42-25-31-24-38-40(2)35(31)39-32-10-6-7-11-33(32)42)13-12-29(26)14-15-34(43)41-20-17-28(18-21-41)23-37-19-16-27-8-4-3-5-9-27/h3-13,22,24,28,37-38H,14-21,23,25H2,1-2H3