4-morpholin-4-ylsulfonyl-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-morpholin-4-ylsulfonyl-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-morpholinosulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(4-morpholinylsulfonyl)-3-(phenylmethyl)-1-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-morpholin-4-ylsulfonyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-morpholinosulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C27H29N5O3S MolecularWeight: 503.61586

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

C1COCCN1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C27H29N5O3S/c28-17-23-8-9-27-25(15-23)20-32(36(33,34)31-11-13-35-14-12-31)26(16-22-5-2-1-3-6-22)21-30(27)19-24-7-4-10-29-18-24/h1-10,15,18,26H,11-14,16,19-21H2