3-prop-2-enyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine

Systemtic Name: 3-prop-2-enyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine Openeye Name: 3-allyl-7-(2-thienyl)-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine CAS Name: 3-prop-2-enyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine IUPAC Name: 3-prop-2-enyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine Traditional Name: 3-allyl-7-(2-thienyl)-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN2C(C1)CN=C(C3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C=CCN1CCN2C(C1)CN=C(C3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C19H21N3S/c1-2-9-21-10-11-22-15(14-21)13-20-19(18-8-5-12-23-18)16-6-3-4-7-17(16)22/h2-8,12,15H,1,9-11,13-14H2