(3S)-7,7-dimethyl-3-[(triphenylmethyl)amino]azepan-2-one

Systemtic Name: (3S)-7,7-dimethyl-3-[(triphenylmethyl)amino]azepan-2-one Openeye Name: (3S)-7,7-dimethyl-3-(tritylamino)azepan-2-one CAS Name: (3S)-7,7-dimethyl-3-[(triphenylmethyl)amino]-2-azepanone IUPAC Name: (3S)-7,7-dimethyl-3-(tritylamino)azepan-2-one Traditional Name: (3S)-7,7-dimethyl-3-(tritylamino)azepan-2-one Formula: C27H30N2O MolecularWeight: 398.5399

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C(=O)N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CCC[C@@H](C(=O)N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O/c1-26(2)20-12-19-24(25(30)29-26)28-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18,24,28H,12,19-20H2,1-2H3,(H,29,30)/t24-/m0/s1