1-[3-(phenylmethyl)-7-pyridin-4-yl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanone

Systemtic Name: 1-[3-(phenylmethyl)-7-pyridin-4-yl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanone Openeye Name: 1-[3-benzyl-7-(4-pyridyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanone CAS Name: 1-[3-(phenylmethyl)-7-pyridin-4-yl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanone IUPAC Name: 1-(3-benzyl-7-pyridin-4-yl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanone Traditional Name: 1-[3-benzyl-7-(4-pyridyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanone Formula: C23H23N3O MolecularWeight: 357.44822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(C=CC(=C2)C3=CC=NC=C3)NCC1CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CC2=C(C=CC(=C2)C3=CC=NC=C3)NCC1CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O/c1-17(27)26-16-21-14-20(19-9-11-24-12-10-19)7-8-23(21)25-15-22(26)13-18-5-3-2-4-6-18/h2-12,14,22,25H,13,15-16H2,1H3