1-[6-[4-(3-bromophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenyl-urea

Systemtic Name: 1-[6-[4-(3-bromophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenyl-urea Openeye Name: 1-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-phenyl-urea CAS Name: 1-[6-[4-[(3-bromophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea IUPAC Name: 1-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenylurea Traditional Name: 1-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-phenyl-urea Formula: C24H24BrN5O2 MolecularWeight: 494.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Br)C3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Br)C3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H24BrN5O2/c25-19-7-4-6-18(16-19)23(31)30-13-5-12-29(14-15-30)22-11-10-21(17-26-22)28-24(32)27-20-8-2-1-3-9-20/h1-4,6-11,16-17H,5,12-15H2,(H2,27,28,32)