(2S)-2-butyl-4-(quinoxalin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: (2S)-2-butyl-4-(quinoxalin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (2S)-2-butyl-4-(quinoxalin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (2S)-2-butyl-4-(5-quinoxalinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (2S)-2-butyl-4-(quinoxalin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (2S)-2-butyl-4-(quinoxalin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CC3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)CC3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C22H25N3O/c1-2-3-9-19-16-25(14-17-7-4-5-11-21(17)26-19)15-18-8-6-10-20-22(18)24-13-12-23-20/h4-8,10-13,19H,2-3,9,14-16H2,1H3/t19-/m0/s1