1-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenyl-urea

Systemtic Name: 1-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenyl-urea Openeye Name: 1-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-phenyl-urea CAS Name: 1-[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea IUPAC Name: 1-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenylurea Traditional Name: 1-phenyl-3-[6-(4-piperonyloyl-1,4-diazepan-1-yl)-3-pyridyl]urea Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)NC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)NC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O4/c31-24(18-7-9-21-22(15-18)34-17-33-21)30-12-4-11-29(13-14-30)23-10-8-20(16-26-23)28-25(32)27-19-5-2-1-3-6-19/h1-3,5-10,15-16H,4,11-14,17H2,(H2,27,28,32)