N-(7-chloranyl-3-morpholin-4-yl-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N',N'-diethyl-ethane-1,2-diamine

Systemtic Name: N-(7-chloranyl-3-morpholin-4-yl-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N',N'-diethyl-ethane-1,2-diamine Openeye Name: N-(7-chloro-3-morpholino-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N',N'-diethyl-ethane-1,2-diamine CAS Name: N-[7-chloro-3-(4-morpholinyl)-5-phenyl-3H-1,4-benzodiazepin-2-yl]-N',N'-diethylethane-1,2-diamine IUPAC Name: N-(7-chloro-3-morpholin-4-yl-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N',N'-diethylethane-1,2-diamine Traditional Name: 2-[(7-chloro-3-morpholino-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]ethyl-diethyl-amine Formula: C25H32ClN5O MolecularWeight: 454.00748

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32ClN5O/c1-3-30(4-2)13-12-27-24-25(31-14-16-32-17-15-31)29-23(19-8-6-5-7-9-19)21-18-20(26)10-11-22(21)28-24/h5-11,18,25H,3-4,12-17H2,1-2H3,(H,27,28)