2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl 2-(diethylamino)ethanoate

Systemtic Name: 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl 2-(diethylamino)ethanoate Openeye Name: 2-[3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl 2-(diethylamino)acetate CAS Name: 2-(diethylamino)acetic acid 2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl ester IUPAC Name: 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl 2-(diethylamino)acetate Traditional Name: 2-(diethylamino)acetic acid 2-[2-keto-3-(m-tolylcarbamoylamino)-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl ester Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)OCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CC(=O)OCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C31H35N5O4/c1-4-35(5-2)21-27(37)40-19-18-36-26-17-10-9-16-25(26)28(23-13-7-6-8-14-23)33-29(30(36)38)34-31(39)32-24-15-11-12-22(3)20-24/h6-17,20,29H,4-5,18-19,21H2,1-3H3,(H2,32,34,39)