N-[6-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(m-tolylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(3-methylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl]-piperonylamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O3/c1-19-4-2-5-20(14-19)17-29-10-3-11-30(13-12-29)25-9-7-22(16-27-25)28-26(31)21-6-8-23-24(15-21)33-18-32-23/h2,4-9,14-16H,3,10-13,17-18H2,1H3,(H,28,31)