4-(3-azanylpropyl)-2-ethyl-7-[[1H-imidazol-2-ylmethyl-(phenylmethyl)amino]-oxidanyl-methyl]-2,5-dihydro-1H-1,4-benzodiazepin-3-one

Systemtic Name: 4-(3-azanylpropyl)-2-ethyl-7-[[1H-imidazol-2-ylmethyl-(phenylmethyl)amino]-oxidanyl-methyl]-2,5-dihydro-1H-1,4-benzodiazepin-3-one Openeye Name: 4-(3-aminopropyl)-7-[[benzyl(1H-imidazol-2-ylmethyl)amino]-hydroxy-methyl]-2-ethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one CAS Name: 4-(3-aminopropyl)-2-ethyl-7-[hydroxy-[1H-imidazol-2-ylmethyl-(phenylmethyl)amino]methyl]-2,5-dihydro-1H-1,4-benzodiazepin-3-one IUPAC Name: 4-(3-aminopropyl)-7-[[benzyl(1H-imidazol-2-ylmethyl)amino]-hydroxymethyl]-2-ethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one Traditional Name: 4-(3-aminopropyl)-7-[[benzyl(1H-imidazol-2-ylmethyl)amino]-hydroxy-methyl]-2-ethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one Formula: C26H34N6O2 MolecularWeight: 462.58716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(N1)C=CC(=C2)C(N(CC3=CC=CC=C3)CC4=NC=CN4)O)CCCN

Isomeric SMILES

CCC1C(=O)N(CC2=C(N1)C=CC(=C2)C(N(CC3=CC=CC=C3)CC4=NC=CN4)O)CCCN

InChI

InChI=1S/C26H34N6O2/c1-2-22-26(34)31(14-6-11-27)17-21-15-20(9-10-23(21)30-22)25(33)32(18-24-28-12-13-29-24)16-19-7-4-3-5-8-19/h3-5,7-10,12-13,15,22,25,30,33H,2,6,11,14,16-18,27H2,1H3,(H,28,29)