N-[(2S)-1-[[4-(azepan-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[[4-(azepan-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-2-[4-(azepan-1-yl)anilino]-1-methyl-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[4-(1-azepanyl)anilino]-1-oxopropan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[4-(azepan-1-yl)anilino]-1-oxopropan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-2-[4-(azepan-1-yl)anilino]-2-keto-1-methyl-ethyl]-3-methyl-benzamide Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C23H29N3O2/c1-17-8-7-9-19(16-17)23(28)24-18(2)22(27)25-20-10-12-21(13-11-20)26-14-5-3-4-6-15-26/h7-13,16,18H,3-6,14-15H2,1-2H3,(H,24,28)(H,25,27)/t18-/m0/s1