(2S)-2-azanyl-N-[1-(2-diethylaminoethyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[1-(2-diethylaminoethyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: (2S)-2-amino-N-[1-(2-diethylaminoethyl)-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: (2S)-2-amino-N-[1-(2-diethylaminoethyl)-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: (2S)-2-amino-N-[1-(2-diethylaminoethyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: (2S)-2-amino-N-[1-(2-diethylaminoethyl)-2-keto-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(C)N)C3=CC=CC=N3

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)[C@H](C)N)C3=CC=CC=N3

InChI

InChI=1S/C23H30N6O2/c1-4-28(5-2)14-15-29-19-12-7-6-10-17(19)20(18-11-8-9-13-25-18)26-21(23(29)31)27-22(30)16(3)24/h6-13,16,21H,4-5,14-15,24H2,1-3H3,(H,27,30)/t16-,21?/m0/s1