N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-4-yl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-4-yl]phenyl]-2-methyl-propanamide Openeye Name: N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-piperidyl]phenyl]-2-methyl-propanamide CAS Name: N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-piperidinyl]phenyl]-2-methylpropanamide IUPAC Name: N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide Traditional Name: N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-piperidyl]phenyl]-2-methyl-propionamide Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H32N2O3/c1-18(2)25(28)26-22-6-3-5-21(16-22)20-9-11-27(12-10-20)17-19-7-8-23-24(15-19)30-14-4-13-29-23/h3,5-8,15-16,18,20H,4,9-14,17H2,1-2H3,(H,26,28)