9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-but-3-ynoxy-7-(5-methyl-2-thienyl)-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-but-3-ynoxy-7-(5-methyl-2-thiophenyl)-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-but-3-ynoxy-7-(5-methyl-2-thienyl)-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)CC4=CC=CN4

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)CC4=CC=CN4

InChI

InChI=1S/C23H24N2O2S/c1-3-4-11-26-21-14-18(22-8-7-17(2)28-22)13-19-15-25(10-12-27-23(19)21)16-20-6-5-9-24-20/h1,5-9,13-14,24H,4,10-12,15-16H2,2H3