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

Systemtic Name: N-methyl-2-pyridin-2-yl-N-[[4-[(4-pyrrolidin-1-ylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]ethanamine Openeye Name: N-methyl-2-(2-pyridyl)-N-[[4-[(4-pyrrolidin-1-ylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]ethanamine CAS Name: N-methyl-2-(2-pyridinyl)-N-[[4-[[4-(1-pyrrolidinyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]ethanamine IUPAC Name: N-methyl-2-pyridin-2-yl-N-[[4-[(4-pyrrolidin-1-ylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]ethanamine Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[[4-(4-pyrrolidinobenzyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]amine Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CN(CCC1=CC=CC=N1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C29H36N4O/c1-31(17-13-27-6-2-3-14-30-27)21-25-9-12-29-26(20-25)23-32(18-19-34-29)22-24-7-10-28(11-8-24)33-15-4-5-16-33/h2-3,6-12,14,20H,4-5,13,15-19,21-23H2,1H3