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

Systemtic Name: 1-(4-methoxyphenyl)-3-[6-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-(4-methoxyphenyl)-3-[6-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-(4-methoxyphenyl)-3-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O3/c1-34-23-11-8-21(9-12-23)28-26(33)29-22-10-13-24(27-19-22)30-14-5-15-31(17-16-30)25(32)18-20-6-3-2-4-7-20/h2-4,6-13,19H,5,14-18H2,1H3,(H2,28,29,33)