N-methyl-N-[[4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-pyridin-2-yl-ethanamine

Systemtic Name: N-methyl-N-[[4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-pyridin-2-yl-ethanamine Openeye Name: N-[[4-[(4-isopropoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-methyl-2-(2-pyridyl)ethanamine CAS Name: N-methyl-N-[[4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-(2-pyridinyl)ethanamine IUPAC Name: N-methyl-N-[[4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-pyridin-2-ylethanamine Traditional Name: [4-(4-isopropoxybenzyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl-methyl-[2-(2-pyridyl)ethyl]amine Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)CN(C)CCC4=CC=CC=N4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)CN(C)CCC4=CC=CC=N4

InChI

InChI=1S/C28H35N3O2/c1-22(2)33-27-10-7-23(8-11-27)20-31-16-17-32-28-12-9-24(18-25(28)21-31)19-30(3)15-13-26-6-4-5-14-29-26/h4-12,14,18,22H,13,15-17,19-21H2,1-3H3