1-phenyl-3-[6-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-phenyl-3-[6-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-phenyl-3-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-[6-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea IUPAC Name: 1-phenyl-3-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-phenyl-3-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2/c31-24(18-20-8-3-1-4-9-20)30-15-7-14-29(16-17-30)23-13-12-22(19-26-23)28-25(32)27-21-10-5-2-6-11-21/h1-6,8-13,19H,7,14-18H2,(H2,27,28,32)