3-(1H-indol-2-ylmethyl)-5-(4-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 3-(1H-indol-2-ylmethyl)-5-(4-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 3-(1H-indol-2-ylmethyl)-5-(4-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 3-(1H-indol-2-ylmethyl)-5-(4-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 3-(1H-indol-2-ylmethyl)-5-(4-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 3-(1H-indol-2-ylmethyl)-5-(4-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C25H21N3O2/c1-30-19-12-10-16(11-13-19)24-20-7-3-5-9-22(20)28-25(29)23(27-24)15-18-14-17-6-2-4-8-21(17)26-18/h2-14,23,26H,15H2,1H3,(H,28,29)