N-[4-[1-(1,4-diazepan-1-yl)-1-oxidanylidene-propan-2-yl]phenyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxidanylidene-propan-2-yl]phenyl]-3,4-dimethyl-benzamide Openeye Name: N-[4-[2-(1,4-diazepan-1-yl)-1-methyl-2-oxo-ethyl]phenyl]-3,4-dimethyl-benzamide CAS Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide IUPAC Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide Traditional Name: N-[4-[2-(1,4-diazepan-1-yl)-2-keto-1-methyl-ethyl]phenyl]-3,4-dimethyl-benzamide Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(C)C(=O)N3CCCNCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(C)C(=O)N3CCCNCC3)C

InChI

InChI=1S/C23H29N3O2/c1-16-5-6-20(15-17(16)2)22(27)25-21-9-7-19(8-10-21)18(3)23(28)26-13-4-11-24-12-14-26/h5-10,15,18,24H,4,11-14H2,1-3H3,(H,25,27)