1-[[3-(aminomethyl)phenyl]amino]-3-[4-(2-oxidanylideneazepan-1-yl)phenyl]-1-phenyl-urea

Systemtic Name: 1-[[3-(aminomethyl)phenyl]amino]-3-[4-(2-oxidanylideneazepan-1-yl)phenyl]-1-phenyl-urea Openeye Name: 1-[3-(aminomethyl)anilino]-3-[4-(2-oxoazepan-1-yl)phenyl]-1-phenyl-urea CAS Name: 1-[3-(aminomethyl)anilino]-3-[4-(2-oxo-1-azepanyl)phenyl]-1-phenylurea IUPAC Name: 1-[3-(aminomethyl)anilino]-3-[4-(2-oxoazepan-1-yl)phenyl]-1-phenylurea Traditional Name: 1-[3-(aminomethyl)anilino]-3-[4-(2-ketoazepan-1-yl)phenyl]-1-phenyl-urea Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)C2=CC=C(C=C2)NC(=O)N(C3=CC=CC=C3)NC4=CC=CC(=C4)CN

Isomeric SMILES

C1CCC(=O)N(CC1)C2=CC=C(C=C2)NC(=O)N(C3=CC=CC=C3)NC4=CC=CC(=C4)CN

InChI

InChI=1S/C26H29N5O2/c27-19-20-8-7-9-22(18-20)29-31(24-10-3-1-4-11-24)26(33)28-21-13-15-23(16-14-21)30-17-6-2-5-12-25(30)32/h1,3-4,7-11,13-16,18,29H,2,5-6,12,17,19,27H2,(H,28,33)