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

Systemtic Name: 1-[6-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]-3-phenyl-urea Openeye Name: 1-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-phenyl-urea CAS Name: 1-[6-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea IUPAC Name: 1-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenylurea Traditional Name: 1-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-phenyl-urea Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2/c27-20(16-7-8-16)26-12-4-11-25(13-14-26)19-10-9-18(15-22-19)24-21(28)23-17-5-2-1-3-6-17/h1-3,5-6,9-10,15-16H,4,7-8,11-14H2,(H2,23,24,28)