N-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(E)-2-methyl-3-phenyl-allyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(E)-2-methyl-3-phenyl-allyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN(CCC2CCCN2C)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN(CCC2CCCN2C)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C27H34N2O3/c1-21(18-22-8-4-3-5-9-22)20-29(15-13-24-10-6-14-28(24)2)27(30)23-11-12-25-26(19-23)32-17-7-16-31-25/h3-5,8-9,11-12,18-19,24H,6-7,10,13-17,20H2,1-2H3/b21-18+