7-ethyl-4-(1H-indol-2-ylcarbonyl)-1-(phenylmethyl)-3,5,6,7-tetrahydro-1,4-benzodiazonin-2-one

Systemtic Name: 7-ethyl-4-(1H-indol-2-ylcarbonyl)-1-(phenylmethyl)-3,5,6,7-tetrahydro-1,4-benzodiazonin-2-one Openeye Name: 1-benzyl-7-ethyl-4-(1H-indole-2-carbonyl)-3,5,6,7-tetrahydro-1,4-benzodiazonin-2-one CAS Name: 7-ethyl-4-[1H-indol-2-yl(oxo)methyl]-1-(phenylmethyl)-3,5,6,7-tetrahydro-1,4-benzodiazonin-2-one IUPAC Name: 1-benzyl-7-ethyl-4-(1H-indole-2-carbonyl)-3,5,6,7-tetrahydro-1,4-benzodiazonin-2-one Traditional Name: 1-benzyl-7-ethyl-4-(1H-indole-2-carbonyl)-3,5,6,7-tetrahydro-1,4-benzodiazonin-2-one Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC(=O)N(C2=CC=CC=C12)CC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

CCC1CCN(CC(=O)N(C2=CC=CC=C12)CC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C29H29N3O2/c1-2-22-16-17-31(29(34)26-18-23-12-6-8-14-25(23)30-26)20-28(33)32(19-21-10-4-3-5-11-21)27-15-9-7-13-24(22)27/h3-15,18,22,30H,2,16-17,19-20H2,1H3