1-[(3R,5S)-5-(azepan-1-yl)-1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(3R,5S)-5-(azepan-1-yl)-1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[(3R,5S)-5-(azepan-1-yl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[(3R,5S)-5-(1-azepanyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(3R,5S)-5-(azepan-1-yl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[(3R,5S)-5-(azepan-1-yl)-2-keto-1-methyl-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(m-tolyl)urea Formula: C25H32N4O2 MolecularWeight: 420.54718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CC(C3=CC=CC=C3N(C2=O)C)N4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N[C@@H]2C[C@@H](C3=CC=CC=C3N(C2=O)C)N4CCCCCC4

InChI

InChI=1S/C25H32N4O2/c1-18-10-9-11-19(16-18)26-25(31)27-21-17-23(29-14-7-3-4-8-15-29)20-12-5-6-13-22(20)28(2)24(21)30/h5-6,9-13,16,21,23H,3-4,7-8,14-15,17H2,1-2H3,(H2,26,27,31)/t21-,23+/m1/s1