7,8-diethoxy-5-[4-(morpholin-4-ylmethyl)phenyl]-1-propyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7,8-diethoxy-5-[4-(morpholin-4-ylmethyl)phenyl]-1-propyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7,8-diethoxy-5-[4-(morpholinomethyl)phenyl]-1-propyl-3H-1,4-benzodiazepin-2-one CAS Name: 7,8-diethoxy-5-[4-(4-morpholinylmethyl)phenyl]-1-propyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7,8-diethoxy-5-[4-(morpholin-4-ylmethyl)phenyl]-1-propyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7,8-diethoxy-5-[4-(morpholinomethyl)phenyl]-1-propyl-3H-1,4-benzodiazepin-2-one Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CN=C(C2=CC(=C(C=C21)OCC)OCC)C3=CC=C(C=C3)CN4CCOCC4

Isomeric SMILES

CCCN1C(=O)CN=C(C2=CC(=C(C=C21)OCC)OCC)C3=CC=C(C=C3)CN4CCOCC4

InChI

InChI=1S/C27H35N3O4/c1-4-11-30-23-17-25(34-6-3)24(33-5-2)16-22(23)27(28-18-26(30)31)21-9-7-20(8-10-21)19-29-12-14-32-15-13-29/h7-10,16-17H,4-6,11-15,18-19H2,1-3H3