N-[4-(azepan-1-yl)-3-[(4-bromanyl-3-methyl-phenyl)carbamoylamino]phenyl]benzamide

Systemtic Name: N-[4-(azepan-1-yl)-3-[(4-bromanyl-3-methyl-phenyl)carbamoylamino]phenyl]benzamide Openeye Name: N-[4-(azepan-1-yl)-3-[(4-bromo-3-methyl-phenyl)carbamoylamino]phenyl]benzamide CAS Name: N-[4-(1-azepanyl)-3-[[(4-bromo-3-methylanilino)-oxomethyl]amino]phenyl]benzamide IUPAC Name: N-[4-(azepan-1-yl)-3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]benzamide Traditional Name: N-[4-(azepan-1-yl)-3-[(4-bromo-3-methyl-phenyl)carbamoylamino]phenyl]benzamide Formula: C27H29BrN4O2 MolecularWeight: 521.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)N4CCCCCC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)N4CCCCCC4)Br

InChI

InChI=1S/C27H29BrN4O2/c1-19-17-21(11-13-23(19)28)30-27(34)31-24-18-22(29-26(33)20-9-5-4-6-10-20)12-14-25(24)32-15-7-2-3-8-16-32/h4-6,9-14,17-18H,2-3,7-8,15-16H2,1H3,(H,29,33)(H2,30,31,34)