N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-methyl-benzamide

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-methyl-benzamide Openeye Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-benzamide CAS Name: N-[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methylbenzamide IUPAC Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-methylbenzamide Traditional Name: 3-methyl-N-[6-(4-piperonyloyl-1,4-diazepan-1-yl)-3-pyridyl]benzamide Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N4O4/c1-18-4-2-5-19(14-18)25(31)28-21-7-9-24(27-16-21)29-10-3-11-30(13-12-29)26(32)20-6-8-22-23(15-20)34-17-33-22/h2,4-9,14-16H,3,10-13,17H2,1H3,(H,28,31)