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

Systemtic Name: N-methyl-2-pyridin-2-yl-N-[[4-(quinoxalin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]ethanamine Openeye Name: N-methyl-2-(2-pyridyl)-N-[[4-(quinoxalin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]ethanamine CAS Name: N-methyl-2-(2-pyridinyl)-N-[[4-(5-quinoxalinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]ethanamine IUPAC Name: N-methyl-2-pyridin-2-yl-N-[[4-(quinoxalin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]ethanamine Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[[4-(quinoxalin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]amine Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)CC2=CC3=C(C=C2)OCCN(C3)CC4=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

CN(CCC1=CC=CC=N1)CC2=CC3=C(C=C2)OCCN(C3)CC4=C5C(=CC=C4)N=CC=N5

InChI

InChI=1S/C27H29N5O/c1-31(14-10-24-6-2-3-11-28-24)18-21-8-9-26-23(17-21)20-32(15-16-33-26)19-22-5-4-7-25-27(22)30-13-12-29-25/h2-9,11-13,17H,10,14-16,18-20H2,1H3