4-morpholin-4-ylsulfonyl-3-(phenylmethyl)-1,5-dihydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-morpholin-4-ylsulfonyl-3-(phenylmethyl)-1,5-dihydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-morpholinosulfonyl-1,5-dihydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(4-morpholinylsulfonyl)-3-(phenylmethyl)-1,5-dihydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-morpholin-4-ylsulfonyl-1,5-dihydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-morpholinosulfonyl-1,5-dihydro-1,4-benzodiazepine-7-carbonitrile Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NC=C2CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NC=C2CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c22-14-18-6-7-21-19(12-18)16-25(29(26,27)24-8-10-28-11-9-24)20(15-23-21)13-17-4-2-1-3-5-17/h1-7,12,15,23H,8-11,13,16H2