4-(3-cyclopentylpropanoyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(3-cyclopentylpropanoyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(3-cyclopentylpropanoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-(3-cyclopentyl-1-oxopropyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(3-cyclopentylpropanoyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(3-cyclopentylpropanoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)CCC4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)CCC4CCCC4

InChI

InChI=1S/C22H26N2O2S/c1-15-8-10-18-17(13-15)22(19-7-4-12-27-19)24(14-20(25)23-18)21(26)11-9-16-5-2-3-6-16/h4,7-8,10,12-13,16,22H,2-3,5-6,9,11,14H2,1H3,(H,23,25)