1-(5-nitro-2,3-dihydroindol-1-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-(5-nitro-2,3-dihydroindol-1-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-(5-nitroindolin-1-yl)ethanone CAS Name: 1-(5-nitro-2,3-dihydroindol-1-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-(5-nitroindolin-1-yl)ethanone Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)N2CCC3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC(=O)N2CCC3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3/c27-22(25-12-9-19-15-20(26(28)29)7-8-21(19)25)17-24-11-4-10-23(13-14-24)16-18-5-2-1-3-6-18/h1-3,5-8,15H,4,9-14,16-17H2