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

Systemtic Name: 1-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenyl-urea Openeye Name: 1-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-phenyl-urea CAS Name: 1-[6-[4-(2-methyl-1-oxopropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea IUPAC Name: 1-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenylurea Traditional Name: 1-[6-(4-isobutyryl-1,4-diazepan-1-yl)-3-pyridyl]-3-phenyl-urea Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c1-16(2)20(27)26-12-6-11-25(13-14-26)19-10-9-18(15-22-19)24-21(28)23-17-7-4-3-5-8-17/h3-5,7-10,15-16H,6,11-14H2,1-2H3,(H2,23,24,28)